(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H24N3OS2+ MolecularWeight: 398.56476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c1-16(26-21-22-18-9-5-6-10-19(18)27-21)20(25)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/p+1/t16-/m1/s1